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{
"id": "jvasp-11732",
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"structure_string": "Ba2 Ca1 W1 O6\n1.0\n5.182212 -0.000000 2.991951\n1.727404 4.885836 2.991951\n0.000000 0.000000 5.983903\nBa Ca W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.500001 W\n0.270302 0.729699 0.729697 O\n0.270302 0.729699 0.270302 O\n0.729697 0.270304 0.729697 O\n0.270303 0.270304 0.729698 O\n0.729697 0.270304 0.270302 O\n0.729696 0.729699 0.270304 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:51.591846Z",
"structure_string": "Li1 V4 O1 F11\n1.0\n5.034133 0.014899 -0.006583\n-0.058391 5.400064 -0.058766\n-0.054991 -0.658983 7.398857\nLi V O F\n1 4 1 11\ndirect\n0.001601 0.590119 0.192808 Li\n0.001724 0.004182 0.505814 V\n0.504081 0.498831 0.502902 V\n0.481922 0.485822 0.997524 V\n0.007784 0.023040 0.001058 V\n0.197208 0.302993 0.050744 O\n0.296697 0.799647 0.077100 F\n0.315917 0.185289 0.438034 F\n0.370525 0.508306 0.747785 F\n0.645655 0.492872 0.248758 F\n0.815494 0.684379 0.958191 F\n0.685842 0.183296 0.926252 F\n0.178606 0.677038 0.423520 F\n0.820206 0.318395 0.566801 F\n0.876473 0.993476 0.250424 F\n0.685882 0.815762 0.558841 F\n0.129354 0.983146 0.750843 F\n",
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{
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"updated_at": "2022-09-04T14:38:02.450261Z",
"structure_string": "Rb2 Tl1 Ga1 F6\n1.0\n0.000000 4.530323 4.530323\n4.530323 -0.000000 4.530323\n4.530323 4.530323 -0.000000\nRb Tl Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ga\n0.287823 0.712176 0.712176 F\n0.287823 0.712176 0.287823 F\n0.712176 0.287823 0.712176 F\n0.712176 0.712176 0.287823 F\n0.287823 0.287823 0.712176 F\n0.712176 0.287823 0.287823 F\n",
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{
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"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.224755 0.000000 -0.000000\n-1.612379 2.790920 0.100388\n-0.000001 0.953638 25.398904\nMo W Se S\n3 1 2 6\ndirect\n0.291164 0.582327 0.001093 Mo\n0.458981 0.917963 0.500484 Mo\n0.540211 0.080417 0.255244 Mo\n0.709648 0.419293 0.746099 W\n0.647036 0.294068 0.933621 Se\n0.601957 0.203913 0.068565 Se\n0.186391 0.372783 0.316566 S\n0.355687 0.711376 0.807816 S\n0.812805 0.625607 0.439156 S\n0.771797 0.543591 0.561895 S\n0.227397 0.454796 0.193808 S\n0.396934 0.793866 0.684404 S\n",
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{
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"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
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{
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"structure_string": "Na4 Sr2 V8 O24\n1.0\n10.636181 0.000000 0.000000\n0.000000 10.636181 0.000000\n0.000000 -0.000000 4.979301\nNa Sr V O\n4 2 8 24\ndirect\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.216587 0.000000 V\n0.716587 0.000000 0.000000 V\n0.283413 0.000000 0.000000 V\n0.000000 0.716587 0.000000 V\n0.783413 0.500000 0.000000 V\n0.500000 0.783413 0.000000 V\n0.216587 0.500000 0.000000 V\n0.000000 0.283413 0.000000 V\n0.696350 0.569766 0.236306 O\n0.117193 0.382807 0.840668 O\n0.882807 0.617193 0.840668 O\n0.617193 0.117193 0.840668 O\n0.382807 0.882807 0.840668 O\n0.382807 0.117193 0.159332 O\n0.117193 0.617193 0.159332 O\n0.882807 0.382807 0.159332 O\n0.617193 0.882807 0.159332 O\n0.569766 0.303650 0.236306 O\n0.696350 0.430233 0.763694 O\n0.803650 0.930233 0.763694 O\n0.430233 0.303650 0.763694 O\n0.569766 0.696350 0.763694 O\n0.196350 0.069766 0.763694 O\n0.069766 0.803650 0.763694 O\n0.930233 0.196350 0.763694 O\n0.303650 0.430233 0.236306 O\n0.803650 0.069766 0.236306 O\n0.196350 0.930233 0.236306 O\n0.069766 0.196350 0.236306 O\n0.930233 0.803650 0.236306 O\n0.303650 0.569766 0.763694 O\n0.430233 0.696350 0.236306 O\n",
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{
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"structure_string": "Ba4 Ca2 U2 O12\n1.0\n0.000000 6.208028 0.002653\n6.159079 0.000000 0.000000\n0.000000 -6.185932 -8.707640\nBa Ca U O\n4 2 2 12\ndirect\n0.245087 0.016984 0.250413 Ba\n0.754914 0.516984 0.249588 Ba\n0.754914 0.983017 0.749588 Ba\n0.245087 0.483016 0.750413 Ba\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.305457 0.489244 0.235699 O\n0.305457 0.010756 0.735699 O\n0.779682 0.283918 0.036279 O\n0.220319 0.716082 0.963722 O\n0.824311 0.758939 0.038578 O\n0.694544 0.510756 0.764301 O\n0.779682 0.216082 0.536279 O\n0.175690 0.258939 0.461422 O\n0.175690 0.241061 0.961422 O\n0.220319 0.783919 0.463722 O\n0.694544 0.989244 0.264301 O\n0.824311 0.741061 0.538578 O\n",
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{
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"structure_string": "Sm2 Fe2 Si2 C1\n1.0\n0.000000 -3.974566 -0.000000\n4.155410 -1.987283 -3.406733\n4.172100 -1.987283 3.486785\nSm Fe Si C\n2 2 2 1\ndirect\n0.440754 0.821759 0.296734 Sm\n0.559246 0.178241 0.703266 Sm\n0.802662 0.304526 0.090151 Fe\n0.197337 0.695475 0.909849 Fe\n0.829025 0.612218 0.729732 Si\n0.170974 0.387783 0.270268 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:37:51.375402Z",
"updated_at": "2022-09-04T14:37:51.375427Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n",
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"created_at": "2022-09-04T14:38:03.376922Z",
"updated_at": "2022-09-04T14:38:03.376943Z",
"structure_string": "Li2 Bi6 Br4 O8\n1.0\n-3.919631 3.919631 0.000000\n1.959815 -1.959815 6.341445\n7.820122 7.820122 0.000000\nLi Bi Br O\n2 6 4 8\ndirect\n0.785489 0.570979 -0.000000 Li\n0.214509 0.429020 0.500000 Li\n0.148288 0.296577 -0.000000 Bi\n0.659172 0.318344 0.258074 Bi\n0.340826 0.681655 0.241925 Bi\n0.851710 0.703422 0.500000 Bi\n0.659172 0.318344 0.741925 Bi\n0.340826 0.681655 0.758074 Bi\n0.000000 0.000000 0.750000 Br\n0.497787 0.995577 0.500000 Br\n0.000000 0.000000 0.250000 Br\n0.502211 0.004423 -0.000000 Br\n0.489851 0.484266 0.125831 O\n0.994414 0.484266 0.125831 O\n0.510147 0.515733 0.374169 O\n0.005584 0.515733 0.374169 O\n0.510147 0.515733 0.625831 O\n0.489851 0.484266 0.874169 O\n0.005584 0.515733 0.625831 O\n0.994414 0.484266 0.874169 O\n",
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"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
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}